SCHEMBL8794535

SCHEMBL8794535

Cc1sc(N(Cc2ccccc2)C2CC2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.43
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
CNR1 P21554 2/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DHODH Q02127 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9182766 0.73 CMKLR1 (0.50) CRHR1
SCHEMBL8683090 0.73 CRHR1 (0.38) CRHR1KMT2ADPP4
SCHEMBL8793483 0.72 CRHR1 (0.48) CRHR1
SCHEMBL8683102 0.72 CRHR1 (0.40) CRHR1KMT2ADPP4
SCHEMBL8839004 0.71 CRHR1 (0.39) CRHR1CNR1KMT2ADHODH
SCHEMBL8682531 0.71 CRHR1 (0.37) CRHR1MAPTKMT2A
SCHEMBL8681643 0.71 CRHR1 (0.37) CRHR1KMT2A
SCHEMBL22293254 0.71 G6PC1 (0.39) KMT2A
SCHEMBL8682538 0.71 CRHR1 (0.39) CRHR1KMT2A
SCHEMBL8681648 0.71 CRHR1 (0.39) CRHR1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576350-B1 Branched alkylamino thiazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-10-29 EP disclosed
EP-0576350-A1 Branched alkylamino thiozole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed